Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1)
TL;DR: Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) (CAS 82568-94-3) is a chemical compound with molecular formula C22H30FeN2O8S and molecular weight 538.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(ethyl 2-amino-3-phenylpropanoate);iron(2+);sulfate
Also Known As: Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1), Iron(2+) sulfate--ethyl phenylalaninate (1/1/2), ethyl 2-amino-3-phenylpropanoate; iron(2+); sulfate
| Molecular Formula | C22H30FeN2O8S |
|---|---|
| Molecular Weight | 538.11 g/mol |
| LogP | 0.8985 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 538.10724 |
| Heavy Atoms | 34 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 82568-94-3 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)N.CCOC(=O)C(CC1=CC=CC=C1)N.[O-]S(=O)(=O)[O-].[Fe+2] |
| InChIKey | ZYPUURCUTZWVQB-UHFFFAOYSA-L |
Product Overview
Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) (CAS 82568-94-3), with molecular formula C22H30FeN2O8S and molecular weight 538.11 g/mol. IUPAC: bis(ethyl 2-amino-3-phenylpropanoate);iron(2+);sulfate.
Chemical Property Profile of Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1)
Property Insights of Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1)
The XLogP value of 0.8985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1). The TPSA of 193.0 Ų indicates high polarity, suggesting Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1)?
The CAS number of Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) is 82568-94-3.
What is the molecular formula of Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1)?
The molecular formula of Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) is C22H30FeN2O8S.
What is the molecular weight of Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1)?
The molecular weight of Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) is 538.11 g/mol.
Where can I buy Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1)?
You can request a quote for Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Iron(2+), bis(ethyl L-phenylalaninate-N,O')-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.